Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 5/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16955449 | 0.87 | NQO1 (0.50) | NQO1HPGDMAPTTSHRTDP1 | |
| SCHEMBL16955171 | 0.86 | HPGD (0.42) | HPGDPOLBMAPTTSHRXBP1 | |
| SCHEMBL16960514 | 0.85 | POLB (0.36) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16960446 | 0.85 | RARA (0.41) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16955536 | 0.83 | NPC1 (0.34) | HPGDPOLBMAPTTSHRXBP1 | |
| SCHEMBL16951236 | 0.83 | HPGD (0.33) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16955697 | 0.81 | MAPT (0.36) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16961444 | 0.81 | FFAR4 (0.40) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16950354 | 0.81 | ACACB (0.35) | HPGDPOLBMAPTTSHRNPSR1 | |
| SCHEMBL16953903 | 0.81 | MAOB (0.36) | HPGDPOLBMAPTTSHRXBP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |